N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide

C17H17FN6O — CID 178024052

IUPACN-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESC[C@@H](C/C=C/c1cnc(N)cc1F)NC(=O)c1nc2ncccc2[nH]1
InChIInChI=1S/C17H17FN6O/c1-10(4-2-5-11-9-21-14(19)8-12(11)18)22-17(25)16-23-13-6-3-7-20-15(13)24-16/h2-3,5-10H,4H2,1H3,(H2,19,21)(H,22,25)(H,20,23,24)/b5-2+/t10-/m0/s1
InChIKeyXIUIABKWKIUHJX-FWYAXHSGSA-N
MW340.36 g/mol
LogP2.30
Rot. Bonds5

About N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide

N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 178024052) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID178024052
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC NameN-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESC[C@@H](C/C=C/c1cnc(N)cc1F)NC(=O)c1nc2ncccc2[nH]1
InChIInChI=1S/C17H17FN6O/c1-10(4-2-5-11-9-21-14(19)8-12(11)18)22-17(25)16-23-13-6-3-7-20-15(13)24-16/h2-3,5-10H,4H2,1H3,(H2,19,21)(H,22,25)(H,20,23,24)/b5-2+/t10-/m0/s1
InChIKeyXIUIABKWKIUHJX-FWYAXHSGSA-N
XLogP2.30
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023775
N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023692
N-[(E,2S)-5-(6-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023979
N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023743
N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024438
N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023761
N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-4-chloro-1H-benzimidazole-2-carboxamide
CID 178023812
N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178024274
N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024535
4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
CID 62934312
methyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)butanoate
CID 140992104
1-butan-2-yl-3-[(E)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea
CID 135440008

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide (CID 178024052) is N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide is C[C@@H](C/C=C/c1cnc(N)cc1F)NC(=O)c1nc2ncccc2[nH]1.
What is the InChIKey of N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is XIUIABKWKIUHJX-FWYAXHSGSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-10(4-2-5-11-9-21-14(19)8-12(11)18)22-17(25)16-23-13-6-3-7-20-15(13)24-16/h2-3,5-10H,4H2,1H3,(H2,19,21)(H,22,25)(H,20,23,24)/b5-2+/t10-/m0/s1.
What are the key properties of N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 178024052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).